SCHEMBL1704641

SCHEMBL1704641

CCOC(=O)[C@@H]1CCCN1CC

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
KDM4E B2RXH2 6/20 0.51
TSHR P16473 3/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49
FKBP1A P62942 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3294572 1.00 ALDH1A1 (0.51) ALDH1A1KDM4ETSHRMAPK1RECQL
SCHEMBL14925980 1.00 ALDH1A1 (0.51) ALDH1A1KDM4ETSHRMAPK1RECQL
SCHEMBL12125004 0.95 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRMAPK1RECQL
SCHEMBL7295807 0.86 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRMAPK1RECQL
SCHEMBL18948659 0.86 KDM4E (0.51) ALDH1A1KDM4ETSHRMAPK1RECQL
SCHEMBL1953383 0.85 KDM4E (0.50) ALDH1A1KDM4ETSHRMAPK1RECQL
SCHEMBL1953381 0.85 KDM4E (0.50) ALDH1A1KDM4ETSHRMAPK1RECQL
SCHEMBL8977442 0.84 LTA4H (0.47) ALDH1A1KDM4EFKBP1APOLB
SCHEMBL3315632 0.84 LTA4H (0.47) ALDH1A1KDM4EFKBP1APOLB
SCHEMBL12677313 0.84 LTA4H (0.47) ALDH1A1KDM4EFKBP1APOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0253785-B1 EFFICIENT STEREOCONSERVATIVE SYNTHESES OF 1-SUBSTITUTED (S)- AND (R)-2-AMINOMETHYLPYRROLIDINES AND INTERMEDIATES THEREIN ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1992-11-11 EP claimed
EP-2000126-B1 HAIR DYEING COMPOSITION KAO CORP (JP) 2015-08-19 EP disclosed
US-9109090-B2 Amino acid-modified organopolysiloxane, making method, and cosmetics SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-08-18 US disclosed
EP-2000125-B1 HAIR DYEING COMPOSITION KAO CORP (JP) 2015-06-10 EP disclosed
EP-2441790-B1 Amino acid-modified organopolysiloxane, making method, and cosmetics SHINETSU CHEMICAL CO (JP) 2014-08-06 EP disclosed
US-8754135-B2 Functionalized non-phenolic amino acids and absorbable polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2014-06-17 US disclosed
US-8519156-B2 Functionalized non-phenolic amino acids and absorbable polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2013-08-27 US disclosed
US-20130116446-A1 FUNCTIONALIZED NON-PHENOLIC AMINO ACIDS AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC (US) 2013-05-09 US disclosed
US-20120093746-A1 AMINO ACID-MODIFIED ORGANOPOLYSILOXANE, MAKING METHOD, AND COSMETICS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-04-19 US disclosed
EP-2441790-A1 Amino acid-modified organopolysiloxane, making method, and cosmetics Shin-Etsu Chemical Co., Ltd. (JP) 2012-04-18 EP disclosed
US-7736396-B2 mixing the first part containing an oxidative dye intermediate and second part containing hydrogen peroxide oxidizer immediately before use, applying mixture to the hair, leaving the hair for 1 to 60 minutes, then rinsing; 3-pyrrolidinyl-1,2,2-triethylpiperidine gives less damage to the hair; bleaching KAO CORPORATION (JP) 2010-06-15 US disclosed
US-20090265864-A1 mixing the first part containing an oxidative dye intermediate and second part containing hydrogen peroxide oxidizer immediately before use, applying mixture to the hair, leaving the hair for 1 to 60 minutes, then rinsing; 3-pyrrolidinyl-1,2,2-triethylpiperidine gives less damage to the hair; bleaching KAO CORPORATION (JP) 2009-10-29 US disclosed
US-7582124-B2 mixing the first part containing an oxidative dye intermediate and second part containing hydrogen peroxide oxidizer immediately before use, applying mixture to the hair, leaving the hair for 1 to 60 minutes, then rinsing; 3-pyrrolidinyl-1,2,2-triethylpiperidine gives less damage to the hair; bleaching KAO CORPORATION (JP) 2009-09-01 US disclosed
US-20090081146-A1 mixing the first part containing an oxidative dye intermediate and second part containing hydrogen peroxide oxidizer immediately before use, applying mixture to the hair, leaving the hair for 1 to 60 minutes, then rinsing; 3-pyrrolidinyl-1,2,2-triethylpiperidine gives less damage to the hair; bleaching KAO CORPORATION (JP) 2009-03-26 US disclosed
EP-2000125-A9 HAIR DYEING COMPOSITION Kao Corporation (JP) 2009-03-18 EP disclosed
EP-2000125-A2 HAIR DYEING COMPOSITION Kao Corporation (JP) 2008-12-10 EP disclosed
EP-2000126-A1 HAIR DYEING COMPOSITION Kao Corporation (JP) 2008-12-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120093746-A1 AMINO ACID-MODIFIED ORGANOPOLYSILOXANE, MAKING METHOD, AND COSMETICS DAO, AADAT, BCAT2 ALDH1A1 1972/4885KDM4E 1444/4885TSHR 1874/4885
US-20130116446-A1 FUNCTIONALIZED NON-PHENOLIC AMINO ACIDS AND ABSORBABLE POLYMERS THEREFROM SLC1A5, SLC7A1, BCAT2 ALDH1A1 1525/4885KDM4E 2370/4885TSHR 4373/4885
US-20090265864-A1 mixing the first part containing an oxidative dye intermediate and second part containing hydrogen peroxide oxidizer immediately before use, applying mixture to the hair, leaving the hair for 1 to 60 minutes, then rinsing; 3-pyrrolidinyl-1,2,2-triethylpiperidine gives less damage to the hair; bleaching GPX4, GPX1, POLR1C ALDH1A1 175/4885KDM4E 1899/4885TSHR 701/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.